4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid

C24H25NO4 — CID 18367521

IUPAC4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1
InChIInChI=1S/C24H25NO4/c1-16-14-20(24(27)28)8-11-22(16)19-6-9-21(10-7-19)29-17(2)23(26)12-5-18-4-3-13-25-15-18/h3-4,6-11,13-15,17,23,26H,5,12H2,1-2H3,(H,27,28)
InChIKeyYFPZLWKRGKNUSI-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.52
Rot. Bonds8

About 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid

4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid (PubChem CID 18367521) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
PubChem CID18367521
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1
InChIInChI=1S/C24H25NO4/c1-16-14-20(24(27)28)8-11-22(16)19-6-9-21(10-7-19)29-17(2)23(26)12-5-18-4-3-13-25-15-18/h3-4,6-11,13-15,17,23,26H,5,12H2,1-2H3,(H,27,28)
InChIKeyYFPZLWKRGKNUSI-UHFFFAOYSA-N
XLogP4.52
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20692776
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
CID 174405331
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
2,2,2-trifluoro-N-[3-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]-N-methylacetamide
CID 59970472
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid?
The IUPAC name of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid (CID 18367521) is 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-c1ccc(OC(C)C(O)CCc2cccnc2)cc1.
What is the InChIKey of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid?
The InChIKey is YFPZLWKRGKNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-14-20(24(27)28)8-11-22(16)19-6-9-21(10-7-19)29-17(2)23(26)12-5-18-4-3-13-25-15-18/h3-4,6-11,13-15,17,23,26H,5,12H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid?
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid has a molecular weight of 391.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid is sourced from PubChem (CID 18367521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).